P. Kirchhoff

发表

LigScore: a novel scoring function for predicting binding affinities.

C. Venkatachalam, X. Jiang, M. Waldman, 2005, Journal of molecular graphics & modelling.

Electrostatic Influence on the Kinetics of Ligand Binding to Acetylcholinesterase

J. Mccammon, P. Kirchhoff, Z. Radić, 1997, The Journal of Biological Chemistry.

Inhibitors of Mycobacterium tuberculosis DosRST signaling and persistence.

P. Kirchhoff, Benjamin K. Johnson, R. B. Abramovitch, 2017, Nature chemical biology.

Structure-based design of novel benzoxazinorifamycins with potent binding affinity to wild-type and rifampin-resistant mutant Mycobacterium tuberculosis RNA polymerases.

T. Cierpicki, N. Zhang, H. Showalter, 2012, Journal of medicinal chemistry.

equine encephalitis virus in vivo

David J. Miller, R. Keep, C. Dobry, 2014 .

Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression.

Shaomeng Wang, S. Gross, J. Stuckey, 2021, Journal of medicinal chemistry.

X-ray crystal structures of the Escherichia coli RNA polymerase in complex with benzoxazinorifamycins.

K. Murakami, H. Showalter, N. Scharf, 2013, Journal of medicinal chemistry.

Rifamycins e Obstacles and opportunities

P. Kirchhoff, P. Aristoff, G. Garcia, 2010 .

Discovery of ARD-2585 as an Exceptionally Potent and Orally Active PROTAC Degrader of Androgen Receptor for the Treatment of Advanced Prostate Cancer.

Shaomeng Wang, D. McEachern, B. Miao, 2021, Journal of medicinal chemistry.

Complementary Cell-Based High-Throughput Screens Identify Novel Modulators of the Unfolded Protein Response

R. Neubig, R. Kaufman, D. Sherman, 2011, Journal of biomolecular screening.

Small molecule screening identifies regulators of the transcription factor ΔFosB.

E. Nestler, Yun Wang, G. Rudenko, 2012, ACS chemical neuroscience.

Utilizing a structure-based docking approach to develop potent G protein-coupled receptor kinase (GRK) 2 and 5 inhibitors.

P. Kirchhoff, J. Tesmer, S. Larsen, 2018, Bioorganic & medicinal chemistry letters.

Computer Simulation Studies of Acetylcholinesterase Dynamics and Activity

L. R. Scott, J. Mccammon, T. Clark, 1998 .

Optimization of dipeptidic inhibitors of cathepsin L for improved Toxoplasma gondii selectivity and CNS permeability.

P. Kirchhoff, Duxin Sun, Alfredo J. Guerra, 2018, Bioorganic & medicinal chemistry letters.

Research into selective biomarkers of erythrocyte exposure to organophosphorus compounds.

Amelia A. Fuller, H. D. Showalter, A. Mapp, 2009, Analytical biochemistry.

Rifamycins--obstacles and opportunities.

H. Showalter, P. Kirchhoff, P. Aristoff, 2010, Tuberculosis.

Structural Fluctuations of a Cryptophane Host: A Molecular Dynamics Simulation

Paul D. Kirchhoff, J. A. McCammon, J. Briggs, 1996 .

Synthesis and structure-activity relationships of novel substituted 8-amino, 8-thio, and 1,8-pyrazole congeners of antitubercular rifamycin S and rifampin.

H. Showalter, Yafei Jin, S. Franzblau, 2011, Bioorganic & medicinal chemistry letters.

Differences between high- and low-affinity complexes of enzymes and nonenzymes.

Heather A Carlson, Mark L. Benson, James B Dunbar, 2008, Journal of medicinal chemistry.

Identification of thieno[3,2-b]pyrrole derivatives as novel small molecule inhibitors of neurotropic alphaviruses.

David J. Miller, R. Neubig, M. Larsen, 2009, The Journal of infectious diseases.

Novel Indole-2-Carboxamide Compounds Are Potent Broad-Spectrum Antivirals Active against Western Equine Encephalitis Virus In Vivo

David J. Miller, R. Keep, C. Dobry, 2014, Journal of Virology.

MScreen: an integrated compound management and high-throughput screening data storage and analysis system.

David H Sherman, Renju T. Jacob, Renju T Jacob, 2012, Journal of biomolecular screening.

Property-based design of a glucosylceramide synthase inhibitor that reduces glucosylceramide in the brain[S]

A. Abe, R. Keep, J. Shayman, 2012, Journal of Lipid Research.

Structure-Based Design, Synthesis, and Biological Evaluation of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors.

J. Cheung, W. Koch, P. Kirchhoff, 2016, Journal of medicinal chemistry.

Single amino acid substitutions in either YhjD or MsbA confer viability to 3‐deoxy‐d‐manno‐oct‐2‐ulosonic acid‐depleted Escherichia coli

Timothy C. Meredith, O. Holst, B. Lindner, 2008, Molecular microbiology.

Inhibitors of TonB Function Identified by a High-Throughput Screen for Inhibitors of Iron Acquisition in Uropathogenic Escherichia coli CFT073

H. Mobley, M. Larsen, P. Kirchhoff, 2014, mBio.

High-Throughput Screen for Escherichia coli Heat Shock Protein 70 (Hsp70/DnaK)

J. Gestwicki, C. P. Walczak, M. Larsen, 2010, Journal of biomolecular screening.

Optimization of novel nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway as potential anti-metastasis agents.

R. Neubig, A. Haak, P. Kirchhoff, 2013, Bioorganic & medicinal chemistry letters.

Rapid binding of a cationic active site inhibitor to wild type and mutant mouse acetylcholinesterase: Brownian dynamics simulation including diffusion in the active site gorge.

P Taylor, J A McCammon, J M Briggs, 1998, Biopolymers.

Protein cross-linking as a novel mechanism of action of a ubiquitin-activating enzyme inhibitor with anti-tumor activity.

N. Donato, M. Talpaz, L. Peterson, 2011, Biochemical pharmacology.

Application of structure‐based focusing to the estrogen receptor

Marvin Waldman, Rob Brown, Paul D. Kirchhoff, 2001, J. Comput. Chem..

Discovery of a Potent and Selective STAT5 PROTAC Degrader with Strong Antitumor Activity In Vivo in Acute Myeloid Leukemia.

Shaomeng Wang, J. Stuckey, D. McEachern, 2023, Journal of medicinal chemistry.

A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo

Wei Jiang, J. Stuckey, D. McEachern, 2023, Nature Chemical Biology.

Discovery of ARD-2051 as a Potent and Orally Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of Androgen Receptor for the Treatment of Advanced Prostate Cancer.

D. McEachern, B. Miao, Mi Wang, 2023, Journal of medicinal chemistry.

Differences between high- and low-affinity complexes of enzymes and nonenzymes.

Mark L. Benson, Richard D. Smith, H. Carlson, 2008, Journal of Medicinal Chemistry.

MScreen

Renju T. Jacob, R. Neubig, D. Sherman, 2012, Journal of biomolecular screening.